SpectraBase Compound ID | Fx2ltUSWjR6 |
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InChI | InChI=1S/C7H14O3/c1-6-7(2,3-8)4-9-5-10-6/h6,8H,3-5H2,1-2H3 |
InChIKey | MTZQDCTVSJQFSK-UHFFFAOYSA-N |
Mol Weight | 146.19 g/mol |
Molecular Formula | C7H14O3 |
Exact Mass | 146.094294 g/mol |
SpectraBase Spectrum ID | 3QYe9KckTAQ |
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Name | 1,3-Dioxane-5-methanol, 4,5-dimethyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 146.094294308 u |
Formula | C7H14O3 |
InChI | InChI=1S/C7H14O3/c1-6-7(2,3-8)4-9-5-10-6/h6,8H,3-5H2,1-2H3 |
InChIKey | MTZQDCTVSJQFSK-UHFFFAOYSA-N |
Molecular Weight | 146.186 g/mol |
SMILES | C(O)C1(C)C(C)OCOC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936815 |